Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.8241   -1.2037    0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5164   -1.0281    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211    0.2534    0.2446 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696    0.5440    0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898    1.8756    0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550    2.2396    0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0461    1.2860    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664   -0.0381    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190   -0.3853    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260   -1.0857   -0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918   -0.3754    0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2901   -2.1817    0.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9244   -1.9047   -0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0456    2.6341    0.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3565    3.2844    0.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    1.5904    0.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -1.4258    0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3152   -1.9911    0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7605   -1.3386   -1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835   -0.7493    0.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers